basic_info |
|
| Product_Name: | PYRABROM |
| CAS: | 606-05-3 |
| EnglishSynonyms: | PYRABROM |
| pro_mdlNumber: | MFCD00865658 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Br.CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2 |
| InChi: | InChI=1S/C17H23N3O.C7H7BrN4O2/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11H,12-14H2,1-3H3;1-2H3,(H,9,10) |
| InChiKey: | InChIKey=XMOLCXIDFCGXAR-UHFFFAOYSA-N |
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